SCHEMBL19944963

SCHEMBL19944963

COc1ccc(NC(=O)[C@H](CCCCN)NC(=O)c2cccc(C(=O)N[C@@H](CCCCN)C(=O)Nc3ccc(OC)c(C(=O)N[C@@H](CCCCN)C(N)=O)c3)c2)cc1C(=O)N[C@@H](CCCCN)C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 1/20 0.48
▸ MMP2 P08253 1/20 0.43
▸ HDAC1 Q13547 4/20 0.43
▸ HDAC3 O15379 3/20 0.43
▸ HDAC4 P56524 3/20 0.43
▸ HDAC7 Q8WUI4 3/20 0.43
▸ HDAC2 Q92769 3/20 0.43
▸ HDAC10 Q969S8 3/20 0.43
▸ HDAC11 Q96DB2 3/20 0.43
▸ HDAC8 Q9BY41 3/20 0.43
▸ HDAC6 Q9UBN7 3/20 0.43
▸ HDAC9 Q9UKV0 3/20 0.43
▸ HDAC5 Q9UQL6 3/20 0.43
▸ KLKB1 P03952 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ ERAP2 Q6P179 5/20 0.41
▸ LNPEP Q9UIQ6 4/20 0.41
▸ KCNB1 Q14721 2/20 0.41
▸ ERAP1 Q9NZ08 2/20 0.41
▸ CYP1A2 P05177 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12515249 0.91 KLKB1 (0.45) HPGDSMMP2HDAC1HDAC3HDAC4
SCHEMBL12515486 0.91 MMP2 (0.45) HPGDSMMP2HDAC1HDAC3HDAC4
SCHEMBL19445833 0.91 KLKB1 (0.42) HPGDSMMP2HDAC1KLKB1TSHR
SCHEMBL12516946 0.91 KLKB1 (0.42) HPGDSMMP2HDAC1KLKB1TSHR
SCHEMBL19944728 0.90 KLKB1 (0.45) HPGDSMMP2HDAC1HDAC3HDAC4
SCHEMBL19486027 0.90 KLKB1 (0.45) HPGDSMMP2HDAC1HDAC3HDAC4
SCHEMBL12515244 0.89 HDAC1 (0.47) MMP2HDAC1HDAC3HDAC4HDAC7
SCHEMBL19445793 0.89 HDAC1 (0.47) MMP2HDAC1HDAC3HDAC4HDAC7
SCHEMBL12779221 0.89 ERAP2 (0.47) HPGDSMMP2KLKB1TSHRERAP2
SCHEMBL10263169 0.89 F3 (0.45) MMP2HDAC1HDAC3HDAC4HDAC7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180064664-A1 Compounds For Use In Treatment of Mucositis POLYMEDIX, INC. 2018-03-08 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180064664-A1 Compounds For Use In Treatment of Mucositis MUC1, FUT6, SI HPGDS 72/4885MMP2 595/4885HDAC1 405/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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